Dammara-20,24-dien-3-ol,3-acetate, (3b)- supplier

Name
Dammaradienyl acetate
EINECS 200-258-5
CAS No. 52914-31-5
Density 0.99 g/cm³
Solubility
Melting Point
Formula C₃₂H₅₂O₂
Boiling Point 509.2 °C at 760 mmHg
Molecular Weight 468.764
Flash Point 258.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Dammara-20,24-dien-3-ol,acetate, (3b)- (9CI);Dammara-20,24-dien-3b-ol, acetate (6CI);Dammadienolacetate;Dammadienyl acetate;Dammara-20,24-dien-3b-yl acetate;Dammaradienylacetate;
PSA 26.30000
LogP 8.90580

Dammara-20,24-dien-3-ol,3-acetate, (3b)- Specification

The Dammara-20,24-dien-3-ol,3-acetate, (3b)-, also known as Dammardienyl acetate, is an organic compound with the formula C₃₂H₅₂O₂. With the CAS registry number 52914-31-5, its IUPAC name is [(3S,8R,9R,10R,13R,14S,17S)-4,4,8,10,14-pentamethyl-17-(6-methylhepta-1,5-dien-2-yl)-2,3,5,6,7,9,11,12,13,15,16,17-dodecahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate.

Physical properties of Dammara-20,24-dien-3-ol,3-acetate, (3b)-: (1)ACD/LogP: 11.88; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 11.88; (4)ACD/LogD (pH 7.4): 11.88; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.517; (12)Molar Refractivity: 143.04 cm³; (13)Molar Volume: 472.3 cm³; (14)Surface Tension: 36.8 dyne/cm; (15)Density: 0.99 g/cm³; (16)Flash Point: 258.8 °C; (17)Enthalpy of Vaporization: 77.97 kJ/mol; (18)Boiling Point: 509.2 °C at 760 mmHg; (19)Vapour Pressure: 1.73E-10 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(O[C@H]3CC[C@@]2([C@H]1CC[C@H]4[C@]([C@]1(C)CCC2C3(C)C)(C)CC[C@@H]4C(=C)\CC\C=C(/C)C)C)C
(2)InChI: InChI=1/C32H52O2/c1-21(2)11-10-12-22(3)24-15-19-31(8)25(24)13-14-27-30(7)18-17-28(34-23(4)33)29(5,6)26(30)16-20-32(27,31)9/h11,24-28H,3,10,12-20H2,1-2,4-9H3/t24-,25-,26?,27-,28+,30+,31+,32-/m1/s1
(3)InChIKey: CRWQCIAHDTXLKB-SSNUIPELBC

Product Name

Dammaradienyl acetate

Dammara-20,24-dien-3-ol,3-acetate, (3b)- Specification

Related Products

Hot Products